13-Hydroxyoctadeca-9,11-dienoic acid
Basic information
- CAS
5204-88-6- Standard SMILES
CCCCCC(O)C=CC=CCCCCCCCC(=O)O- InChIKey
HNICUWMFWZBIFP-UHFFFAOYSA-N- Molecular formula
- C18H32O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.23514488
Overview
13-Hydroxyoctadeca-9,11-dienoic acid has been reported in Matricaria discoidea and Matricaria matricarioides with data available.
Names & identifiers
- Preferred name
- 13-Hydroxyoctadeca-9,11-dienoic acid
- IUPAC
- 13-hydroxyoctadeca-9,11-dienoic acid
- English name
- (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
- Molecular formula
- C18H32O3
- Molecular weight
- 296.44
Names & synonyms
13-hydroxyoctadeca-9,11-dienoic acid13(R)-HODE10219-69-9CBiol_001778SCHEMBL561144orb1983465DTXSID70863503Bio1_000064Bio1_000553Bio1_00104213hydroxyoctadeca-9,11-dienoic acidPD025086
Show more names
13-hydroxy-9,11-octadecadienoic acid13S-hydroxyoctadecadienoic acidAids009325Aids-0093259,11-Octadecadienoic acid, 13-hydroxy-(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
(+/-)-13-HYDROXYOCTADECA-9Z,11E-DIENOIC ACID13(R)-HODE;13R-HYDROXY-9Z,11E-OCTADECADIENOIC ACID;(R,9Z,11E)-13-Hydroxy-9,11-octadecadienoic acid;Coriolic acid;(R-(E,Z))-13-Hydroxy-9,11-octadecadienoic acid;9,11-Octadecadienoic acid, 13-hydroxy-, (R-(E,Z))-
Database identifiers
- CAS
5204-88-6- PubChem CID
- 1424
- DTXSID
DTXSID70863503
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Chemistry & industry
Additional notes
DefinitionChEBI: Alpha-Artemisic acid is an octadecadienoic acid.
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Related reactions
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Compound notes
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